NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1433 8.1127 120.8581 56.8798 30.7258 176.3042 3 V 2.7457 8.7035 122.8959 62.1779 31.5448 170.6431 4 K 4.7260 9.4333 121.3946 56.8293 33.5993 175.7021 5 M 4.3411 7.9647 117.9067 56.0177 33.6113 174.8390 6 H 4.7921 8.4997 114.5477 55.1345 31.2339 174.6665 7 V 3.6359 8.0751 112.8852 64.0012 31.2623 176.3569 8 K 4.8353 7.5042 115.3100 54.4244 35.3497 175.9576 9 K 4.2811 7.6728 123.0857 56.7314 34.1510 179.2939 10 G 4.0884 8.6109 102.4835 43.7186 0.0000 170.4066 11 D 4.6289 7.0907 118.0424 52.5732 42.7479 174.8796 12 T 4.4590 8.3358 115.6925 63.8348 69.3192 174.2412 13 V 4.7189 9.1408 124.6035 60.3356 35.5923 173.5259 14 L 4.9991 9.5588 124.0048 53.4472 45.4967 175.4546 15 V 4.6574 8.7677 122.3510 61.0901 33.2961 174.9164 16 A 4.5895 8.6051 128.7252 50.3775 19.2456 177.9243 17 S 4.5347 8.2234 107.3581 59.1211 63.0208 175.3157 18 G 3.8761 8.9428 105.2199 45.4920 0.0000 173.9126 19 K 3.7885 9.2664 120.6158 59.0200 33.1678 177.1622 20 Y 4.6048 7.3043 115.5542 57.1346 38.4948 176.0038 21 K 4.2293 7.8196 120.2247 57.4347 33.0301 178.2135 22 G 4.0965 8.6294 110.0173 46.3571 0.0000 174.7735 23 R 4.2406 7.7316 119.1025 56.2155 31.4325 175.8610 24 V 4.7913 8.3225 121.2411 61.2514 34.2324 174.7012 25 G 4.2386 9.2464 113.8494 44.7514 0.0000 172.4820 26 K 4.2903 8.3481 120.5659 55.8842 33.6889 175.2804 27 V 3.5205 7.1377 116.2433 63.8281 31.6882 175.9148 28 K 4.3631 8.0265 125.2450 59.3211 32.3994 177.5013 29 E 3.7212 7.7481 113.0634 57.2153 25.4628 175.4379 30 V 3.7446 7.7023 125.7209 62.7646 31.6987 175.1870 31 L 4.1623 7.4006 126.3977 54.5422 42.1105 175.4644 32 P 4.7834 0.0000 0.0000 62.5946 32.1749 176.9617 33 K 4.2537 7.9331 115.7395 57.4894 31.3754 177.2986 34 K 4.5503 8.8369 113.7887 55.4926 37.5983 175.0001 35 Y 3.1857 8.0235 119.1116 58.8221 36.6961 168.1524 36 A 5.4020 7.6099 119.3042 50.4468 23.8585 178.2520 37 V 4.7973 7.8268 114.1205 59.8493 31.6848 175.6651 38 I 3.8524 8.8881 134.6578 62.5203 43.0344 174.4996 39 V 3.3936 7.5373 118.1074 62.5920 31.1436 172.5615 40 E 4.6438 8.7041 119.0783 56.3114 30.0554 176.0022 41 G 3.5077 7.1473 110.0179 44.2173 0.0000 173.5270 42 V 2.0879 5.4500 113.1377 63.4696 29.7908 171.8000 43 N 5.7975 8.3499 121.6852 50.8229 42.6623 174.2888 44 I 4.3936 9.3262 119.4572 60.5159 40.6654 175.0656 45 V 4.0771 8.0272 120.8854 61.3655 32.1576 175.0132 46 K 4.2537 8.3297 128.5345 55.2984 32.9208 177.1205 47 K 3.7564 9.2124 126.5064 59.5656 32.1794 175.8981 48 A 3.3680 7.9963 126.8460 51.6045 15.1330 176.1257 49 V 3.8353 7.9711 119.3711 63.5605 32.6563 177.4299 50 R 4.3225 8.2409 122.6662 55.9272 28.0735 176.5932 51 V 4.2673 7.2497 111.7919 60.7500 33.9194 178.1363 52 S 4.0571 9.2925 118.7012 62.7522 62.8182 176.5306 53 P 3.9719 0.0000 0.0000 64.1874 31.6796 176.7295 54 K 4.3668 7.4436 112.2282 56.9604 36.5286 174.9962 55 Y 4.7800 7.0653 115.8773 56.6493 38.3051 173.6768 56 P 4.1000 0.0000 0.0000 63.3289 30.6875 173.7078 57 Q 3.3323 8.6690 123.8237 57.8122 27.6431 175.1060 58 G 4.1008 8.8444 116.6802 44.7710 0.0000 172.1503 59 G 4.1390 8.8953 122.4615 48.4586 0.0000 172.8368 60 F 6.3000 7.6529 135.0000 57.7544 41.2672 173.5210 61 I 4.3884 7.4052 121.0376 59.1415 39.5797 173.9856 62 E 4.8004 8.3855 126.1374 54.2967 33.6531 174.2335 63 K 4.6445 8.2032 122.7535 56.2773 31.6997 175.1314 64 E 4.7251 8.4953 116.6954 53.7884 31.5773 175.6354 65 A 4.1076 8.8973 127.8078 51.4431 19.1989 175.4659 66 P 4.2520 0.0000 0.0000 65.3451 31.6311 172.8233 67 L 3.4956 8.0627 129.7629 54.0254 41.7864 172.6872 68 H 4.4820 8.8061 126.0220 56.3668 29.5647 175.4669 69 A 4.1031 8.9372 131.8382 55.3208 18.2746 179.2783 70 S 4.3826 8.3390 108.9877 60.8677 62.9643 174.7710 71 K 4.3125 8.8819 118.7635 57.0812 32.2575 176.4264 72 V 4.9632 7.1169 111.3497 59.9846 34.1715 175.4981 73 R 4.8216 8.7149 120.4486 54.1735 34.5348 173.4958 74 P 5.0132 0.0000 0.0000 62.8618 33.3135 174.8983 75 I 4.7519 7.8677 118.3052 59.8902 40.9195 173.2971 76 C 4.4509 8.7832 125.1566 59.4534 34.5540 172.4989 77 P 4.0306 0.0000 0.0000 62.1305 28.8646 175.4406 78 A 4.6648 6.5916 127.6204 53.2151 21.5641 175.3732 79 C 5.1148 7.8627 112.8480 58.4968 32.5062 173.8662 80 G 3.9358 8.7119 105.8269 45.8278 0.0000 174.0058 81 K 4.2025 9.3426 124.1510 55.3787 31.9949 175.7444 82 P 4.6424 0.0000 0.0000 62.5521 31.6970 175.1535 83 T 4.7697 8.2068 108.1559 60.9305 71.9504 173.0719 84 R 4.7505 9.2380 123.5985 54.5373 34.1033 174.0169 85 V 4.8650 8.2226 120.2655 60.9882 34.2832 174.3609 86 R 4.7861 9.2070 127.8298 54.2615 31.5112 176.8728 87 K 3.8428 8.6281 123.2728 59.4573 32.6121 178.9759 88 K 3.9118 8.2541 116.8246 55.6037 28.9275 176.8961 89 F 3.9545 8.2894 117.9341 57.9534 38.0860 174.1559 90 L 4.5801 7.1560 125.9722 56.3530 44.0697 174.8024 91 E 4.6375 6.9857 115.3506 55.2253 28.6632 177.0719 92 N 4.7764 8.6189 122.7261 53.9793 41.6301 172.9790 93 G 4.4038 8.8163 112.4638 44.8505 0.0000 171.3138 94 K 5.0865 8.5938 120.4853 55.1328 34.8224 175.3047 95 K 4.9733 8.7872 124.9760 53.8424 35.6990 176.6158 96 I 4.4144 8.3207 129.3493 61.1679 36.3251 178.7708 97 R 4.2967 8.0778 123.1343 55.8772 30.0545 173.6952 98 V 3.1961 8.5023 125.4000 61.6706 29.2459 171.0638 99 C 4.8727 7.1315 120.5542 60.6791 33.4692 173.2611 100 A 4.1630 8.8852 125.9096 53.1115 21.1342 176.5262 101 K 3.9933 8.6244 122.0439 56.7025 32.4766 175.3547 *102 C 4.3630 8.3647 114.2709 58.0223 28.5244 170.0213 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 R 8.11 4.14 0.00 1.82 1.89 0.00 3.46 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 3 V 8.70 2.75 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 4 K 9.43 4.73 0.00 1.75 1.81 0.00 1.50 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.73 7.81 5 M 7.96 4.34 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 6 H 8.50 4.79 0.00 3.02 3.30 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.08 3.64 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.95 0.00 0.00 8 K 7.50 4.84 0.00 1.57 1.65 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.40 7.81 9 K 7.67 4.28 0.00 2.04 1.42 0.00 1.29 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.39 7.81 10 G 8.61 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.09 4.63 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.34 4.46 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 13 V 9.14 4.72 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 14 L 9.56 5.00 0.00 1.63 1.67 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.77 4.66 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 16 A 8.61 4.59 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.22 4.53 0.00 4.04 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.94 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 9.27 3.79 0.00 1.82 2.07 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.05 1.37 7.81 20 Y 7.30 4.60 0.00 3.12 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.82 4.23 0.00 2.02 1.68 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 22 G 8.63 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.73 4.24 0.00 1.94 1.93 0.00 3.27 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 24 V 8.32 4.79 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.99 0.00 0.00 25 G 9.25 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.35 4.29 0.00 1.88 1.72 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.41 7.81 27 V 7.14 3.52 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.96 0.00 0.00 28 K 8.03 4.36 0.00 1.76 1.88 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.35 7.81 29 E 7.75 3.72 0.00 1.99 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 30 V 7.70 3.74 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.89 0.00 0.00 31 L 7.40 4.16 0.00 1.66 1.62 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.78 0.00 2.03 2.16 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 33 K 7.93 4.25 0.00 1.74 1.85 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.48 7.81 34 K 8.84 4.55 0.00 1.72 1.80 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.39 7.81 35 Y 8.02 3.19 0.00 3.23 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.61 5.40 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.83 4.80 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.94 0.00 0.00 38 I 8.89 3.85 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.94 0.94 0.00 0.00 39 V 7.54 3.39 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.89 0.00 0.00 40 E 8.70 4.64 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 41 G 7.15 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 5.45 2.09 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.47 0.00 0.00 43 N 8.35 5.80 0.00 2.75 2.82 0.00 0.00 6.73 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.33 4.39 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.49 0.89 0.00 0.00 45 V 8.03 4.08 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.71 0.00 0.00 46 K 8.33 4.25 0.00 1.83 1.64 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.46 7.81 47 K 9.21 3.76 0.00 1.77 1.82 0.00 2.27 0.00 0.00 1.84 0.00 0.00 3.21 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.47 1.47 7.81 48 A 8.00 3.37 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.97 3.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.90 0.00 0.00 50 R 8.24 4.32 0.00 1.94 2.00 0.00 3.12 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 51 V 7.25 4.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.07 0.00 0.00 52 S 9.29 4.06 0.00 3.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 3.97 0.00 2.09 2.13 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 54 K 7.44 4.37 0.00 1.39 0.98 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.02 1.27 7.81 55 Y 7.07 4.78 0.00 3.15 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.10 0.00 2.18 2.16 0.00 4.03 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 57 Q 8.67 3.33 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.21 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 58 G 8.84 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.90 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.65 6.30 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.41 4.39 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 0.96 0.00 0.00 62 E 8.39 4.80 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 63 K 8.20 4.64 0.00 1.75 1.53 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.44 7.81 64 E 8.50 4.73 0.00 1.90 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 65 A 8.90 4.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.25 0.00 2.04 2.15 0.00 3.76 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 67 L 8.06 3.50 0.00 1.99 1.65 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.81 4.48 0.00 3.25 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.94 4.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.34 4.38 0.00 4.07 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.88 4.31 0.00 1.95 1.86 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.47 7.81 72 V 7.12 4.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.91 0.00 0.00 73 R 8.71 4.82 0.00 1.71 1.76 0.00 3.14 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 74 P 0.00 5.01 0.00 2.11 2.17 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 75 I 7.87 4.75 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.68 0.91 0.00 0.00 76 C 8.78 4.45 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.03 0.00 2.16 2.41 0.00 3.88 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 78 A 6.59 4.66 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 7.86 5.11 0.00 3.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.71 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 9.34 4.20 0.00 1.95 1.96 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.44 7.81 82 P 0.00 4.64 0.00 2.05 2.05 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 83 T 8.21 4.77 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 84 R 9.24 4.75 0.00 1.83 1.88 0.00 3.04 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 85 V 8.22 4.87 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.94 0.00 0.00 86 R 9.21 4.79 0.00 1.87 1.74 0.00 3.17 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 87 K 8.63 3.84 0.00 2.00 2.07 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.59 7.81 88 K 8.25 3.91 0.00 2.09 2.13 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 89 F 8.29 3.95 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.16 4.58 0.00 1.72 1.57 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 91 E 6.99 4.64 0.00 1.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 92 N 8.62 4.78 0.00 2.65 2.63 0.00 0.00 6.54 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.82 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.59 5.09 0.00 1.84 1.95 0.00 1.45 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 95 K 8.79 4.97 0.00 1.82 1.65 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.32 1.46 7.81 96 I 8.32 4.41 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.97 0.00 0.00 97 R 8.08 4.30 0.00 1.86 1.91 0.00 3.11 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 98 V 8.50 3.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 99 C 7.13 4.87 0.00 2.98 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.89 4.16 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.62 3.99 0.00 1.83 1.78 0.00 1.64 0.00 0.00 2.40 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.37 7.81 *102 C 8.36 4.36 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.